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uid 36
scaling factor 0.958

TransitionsLeft-clk & drag: Zoom; Right-clk: reset

Details

Properties

Number of atoms 66
Weight 594.1409 amu
Total energy -1837.604 Hartree
Zero-point energy 315.5378 Kcal/mol
Scaling factor 0.958
Method UB3LYP
State Cs
Solo hydrogens 8
Duo hydrogens 4
Trio hydrogens 6
Quartet hydrogens 0
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


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556 species present in version 1.00 of the theoretical database (Dec 2, 2008)